3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid

C13H12N2O4 — CID 82090064

IUPAC3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccco1)c1cccnc1
InChIInChI=1S/C13H12N2O4/c16-12(17)7-10(9-3-1-5-14-8-9)15-13(18)11-4-2-6-19-11/h1-6,8,10H,7H2,(H,15,18)(H,16,17)
InChIKeyRLSHCNYYXPGTQQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.62
Rot. Bonds5

About 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid

3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid (PubChem CID 82090064) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
PubChem CID82090064
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1ccco1)c1cccnc1
InChIInChI=1S/C13H12N2O4/c16-12(17)7-10(9-3-1-5-14-8-9)15-13(18)11-4-2-6-19-11/h1-6,8,10H,7H2,(H,15,18)(H,16,17)
InChIKeyRLSHCNYYXPGTQQ-UHFFFAOYSA-N
XLogP1.62
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 20897090
(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium
CID 5043626
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 2761784
3-pyridin-3-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772681
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid (CID 82090064) is 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid is O=C(O)CC(NC(=O)c1ccco1)c1cccnc1.
What is the InChIKey of 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid?
The InChIKey is RLSHCNYYXPGTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12(17)7-10(9-3-1-5-14-8-9)15-13(18)11-4-2-6-19-11/h1-6,8,10H,7H2,(H,15,18)(H,16,17).
What are the key properties of 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid?
3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid has a molecular weight of 260.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 82090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).